L1IGK2 -OEChem-05032300022D 55 58 0 1 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -3.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -3.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1252 2.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6089 2.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1339 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9186 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4437 2.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 10 3 1 6 0 0 0 3 47 1 0 0 0 0 6 29 1 0 0 0 0 6 55 1 0 0 0 0 9 7 1 1 0 0 0 7 18 1 0 0 0 0 7 44 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 1 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 M END $$$$